Information card for entry 2108755

Structure parameters

• Common name: sodium propoxide propanol disolvate, sodium n-propanolate n-propanol disolvate
• Chemical name: sodium n-propoxide n-propanol disolvate
• Formula: C9 H23 Na O3
• Calculated formula: C9 H23 Na O3
• Title of publication: Disordered sodium alkoxides from powder data: crystal structures of sodium ethoxide, propoxide, butoxide and pentoxide, and some of their solvates
• Authors of publication: Beske, Maurice; Cronje, Stephanie; Schmidt, Martin U.; Tapmeyer, Lukas
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 1
• a: 23.745 ± 0.005 Å
• b: 5.075 ± 0.0011 Å
• c: 24.174 ± 0.005 Å
• α: 90°
• β: 111.589 ± 0.01°
• γ: 90°
• Cell volume: 2708.7 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1246
• Residual factor for significantly intense reflections: 0.0954
• Weighted residual factors for significantly intense reflections: 0.2682
• Weighted residual factors for all reflections included in the refinement: 0.2984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes